1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3S)-3-methylol-3-(2-phenoxyethyl)piperidino]-3-(methylthio)propan-1-one Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCCC(C1)(CCOC2=CC=CC=C2)CO

Isomeric SMILES

CSCCC(=O)N1CCC[C@@](C1)(CCOC2=CC=CC=C2)CO

InChI

InChI=1S/C18H27NO3S/c1-23-13-8-17(21)19-11-5-9-18(14-19,15-20)10-12-22-16-6-3-2-4-7-16/h2-4,6-7,20H,5,8-15H2,1H3/t18-/m0/s1